Chemical Identity
Molecular Formula
C13H17BF3NO2
Molecular Weight
287.09 g/mol
Exact Mass
287.130443
PubChem CID
66587508
SMILES String
CC1(C)OB(c2cc(C(F)(F)F)ccc2N)OC1(C)C
Names & Synonyms
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External Identifiers
Catalog Overview
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)aniline is an organic compound with the molecular formula C13H17BF3NO2 and a molecular weight of 287. 09 g/mol. It incorporates an aniline moiety, a trifluoromethyl group, and a pinacol boronate ester. The pinacol boronate ester group is a key feature, enabling its use in various palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, to form new carbon-carbon bonds.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)aniline is an organic compound with the molecular formula C13H17BF3NO2 and a molecular weight of 287.09 g/mol. It incorporates an aniline moiety, a trifluoromethyl group, and a pinacol boronate ester. The pinacol boronate ester group is a key feature, enabling its use in various palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, to form new carbon-carbon bonds. The trifluoromethyl group is a strong electron-withdrawing substituent, which can influence the electronic properties and reactivity of the molecule. This compound serves as a valuable intermediate in the synthesis of complex organic molecules, including potential pharmaceuticals and agrochemicals, for research-use applications.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
white to off-white solid
Physical State
solid
Melting Point
80.0 °C
Boiling Point
300.0 °C
Density
1.3 g/cm³
Water Solubility
slightly soluble
Flash Point
160.0 °C
Applications / Classifications
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary safety-style information for reference only. Not a supplier SDS.
Handling and Storage
- Handle with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and handling instructions before use. This product is for research use only.
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